SCHEMBL95342

SCHEMBL95342

O=COCCN(C1CCCCC1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 11/20 0.42
ADH1C P00326 8/20 0.39
ADH4 P08319 2/20 0.39
SLC29A1 Q99808 1/20 0.35
ADH1B P00325 2/20 0.33
ADH7 P40394 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL95341 0.73 ADH1A (0.33) ADH1AADH1CADH4
SCHEMBL12918857 0.73 ADH1A (0.32) ADH1AADH1C
SCHEMBL14199751 0.71 ADH1A (0.35) ADH1AADH1CSLC29A1
SCHEMBL3957150 0.71 ADH1A (0.44) ADH1AADH1CADH4ADH1BADH7
SCHEMBL10170019 0.71 ADH1A (0.39) ADH1AADH1CADH4
SCHEMBL27705383 0.67 ADH1B (0.40) ADH1AADH1CADH4ADH1BADH7
SCHEMBL73403 0.67 ADH1B (0.40) ADH1AADH1CADH4ADH1BADH7
SCHEMBL5543967 0.67 ADH1B (0.40) ADH1AADH1CADH4ADH1BADH7
SCHEMBL10620802 0.67 TSHR (0.40)
SCHEMBL10170018 0.67 SIGMAR1 (0.38) ADH1AADH1C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB ADH1A 2734/4885ADH1C 2430/4885ADH4 2644/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ADH1A 848/4885ADH1C 786/4885ADH4 752/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ADH1A 848/4885ADH1C 786/4885ADH4 752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.